2455518-33-7
2455518-33-7
Chemical Structure
X77
- CAS No.: 2455518-33-7
- Formula:C27H33N5O2
- Molecular Weight:459.58
IUPAC Name: (R)-N-(4-(tert-butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-4-carboxamide
InChIKey: MUNFBYOTGGMQOS-XMMPIXPASA-N
SMILES: O=C(C1=CNC=N1)N(C2=CC=C(C(C)(C)C)C=C2)[C@H](C3=CC=CN=C3)C(NC4CCCCC4)=O
Biological Activity: X77 is a potent non-covalent inhibitor of the main protease of SARS-CoV-2 (SARS-CoV-2 Mpro)[1]. X77 binds to SARS-CoV-2 Mpro with a Kd value of 0.057 μM[2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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X77 | 99.96% | X77 is a potent non-covalent inhibitor of the main protease of SARS-CoV-2 (SARS-CoV-2 Mpro). X77 binds to SARS-CoV-2 Mpro with a Kd value of 0.057 μM. | ||||||||||||||||||||
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References
- [1]. Sohini Chakraborti, et al. Drug Repurposing Approach Targeted Against Main Protease of SARS-CoV-2 Exploiting ‘Neighbourhood Behaviour’ in 3D Protein Structural Space and 2D Chemical Space of Small Molecules.
- [2]. Alexander M Andrianov, et al. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. J Biomol Struct Dyn [Content Brief]
Keywords
